[5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate
[CAS# 102029-53-8]

Identification

• Name: [5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate
• Synonyms: Adenylyl-(3'.5')-guanosine; adenylyl-(3'-->5')-guanosine
• Molecular Formula: C₂₀H₂₅N₁₀O₁₁P
• Molecular Weight: 612.45
• CAS Registry Number: 102029-53-8
• SMILES: O=C6/N=C(/N)Nc1c6ncn1C2OC(C(O)C2O)COP(=O)(O)OC5C(OC(n4cnc3c(ncnc34)N)C5O)CO
• InChI: 1S/C20H25N10O11P/c21-14-8-15(24-3-23-14)29(4-25-8)19-12(34)13(6(1-31)39-19)41-42(36,37)38-2-7-10(32)11(33)18(40-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H2,21,23,24)(H3,22,27,28,35)
• InChIKey: LWBLDUTUVIXFJE-UHFFFAOYSA-N

Properties

• Density: 2.417g/cm³ (Cal.)
• Boiling point: 1147.379°C at 760 mmHg (Cal.)
• Flash point: 647.712°C (Cal.)
• Refractive index: 2.014 (Cal.)